| SpectraBase Spectrum ID |
CKYCr9q1pW6 |
| Name |
4-[5-(4-Methylphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-D]isoxazol-3-yl]benzoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.137221747 u |
| Formula |
C25H20N2O5 |
| InChI |
InChI=1S/C25H20N2O5/c1-15-7-13-18(14-8-15)26-23(28)20-21(16-9-11-17(12-10-16)25(30)31)27(32-22(20)24(26)29)19-5-3-2-4-6-19/h2-14,20-22H,1H3,(H,30,31) |
| InChIKey |
OQASDXQACGOCDP-UHFFFAOYSA-N |
| Molecular Weight |
428.444 g/mol |
| SMILES |
OC(C1=CC=C(C2C3C(C(N(C=4C=CC(=CC4)C)C3=O)=O)ON2C=2C=CC=CC2)C=C1)=O |
![4-[5-(4-methylphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl]benzoic acid](/api/spectrum/CKYCr9q1pW6/structure.png?h=300&w=458 "4-[5-(4-methylphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl]benzoic acid")
